search
density functional theory
Trends
- 1Peking University team ports ABACUS physics software to Huawei Kunpeng chips●A Peking University team led by Chen Mohan has ported ABACUS, an open-source density functional theory package, to Huawe
A Peking University team led by Chen Mohan has ported ABACUS, an open-source density functional theory package used in materials science, to Huawei's Kunpeng 920 processors, optimising 19 classes of core operators. According to the report, the SVE build ran 1.3 to 3.9 times faster than x86 chips on 28 cores. The work is being discussed as another sign of Chinese scientific software adapting to domestic chip alternatives amid ongoing export restrictions.
- 2Purdue announces new book 'Introduction to Density Functional Theory'▼In Print: ‘Introduction to Density Functional Theory’
Purdue University has announced the publication of 'Introduction to Density Functional Theory', a new textbook on the widely used quantum mechanical method for studying the electronic structure of matter. Density functional theory is a cornerstone of computational physics, chemistry and materials science, and the book is aimed at students and researchers entering the field.
- 3New DFT Method Computes Superconductor Coherence Length and Penetration Depth●First-Principles Calculation of Coherence Length and Penetration Depth Based on Density Functional Theory for Superconductors
Researchers publishing in Physical Review journals have presented a first-principles calculation, based on density functional theory, that derives two key superconducting parameters directly from a material's electronic structure: the coherence length and the magnetic penetration depth. The approach removes the need for fitted experimental inputs, offering a predictive tool for characterising superconductors and guiding the search for new superconducting materials.